smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](C[N@@H+](CCP(=O)(c1ccccc1)c1ccccc1)C1CC1)C(=O)[O-]	ZINC000827448705	604741873	/nfs/dbraw/zinc/74/18/73/604741873.db2.gz	BYWLUWODCMVHEJ-KRWDZBQOSA-N	0	1	371.417	3.186	20	50		FGGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)o1	ZINC000824352420	607889315	/nfs/dbraw/zinc/88/93/15/607889315.db2.gz	CTJDLLGYPLACCH-JHJVBQTASA-N	0	1	373.461	3.028	20	50		FGGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)CC[C@@H](C)c2ccccc2)o1	ZINC000824358387	607557645	/nfs/dbraw/zinc/55/76/45/607557645.db2.gz	IPUQVDKXMNGNBZ-GFCCVEGCSA-N	0	1	369.429	3.005	20	50		FGGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C[C@@H]2CCCCC2(C)C)o1	ZINC000824358914	607711144	/nfs/dbraw/zinc/71/11/44/607711144.db2.gz	RWMNLWRAKRGVDQ-NSHDSACASA-N	0	1	361.450	3.028	20	50		FGGDMN
CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833496208	605739316	/nfs/dbraw/zinc/73/93/16/605739316.db2.gz	YNSPJZUBZZKKPJ-UHFFFAOYSA-N	0	1	370.453	3.051	20	50		FGGDMN
C[C@H](C[N@@H+](CCP(=O)(c1ccccc1)c1ccccc1)C1CC1)C(=O)[O-]	ZINC000827448706	604741039	/nfs/dbraw/zinc/74/10/39/604741039.db2.gz	BYWLUWODCMVHEJ-QGZVFWFLSA-N	0	1	371.417	3.186	20	50		FGGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)CC[C@H](C)c2ccccc2)o1	ZINC000824358388	607557700	/nfs/dbraw/zinc/55/77/00/607557700.db2.gz	IPUQVDKXMNGNBZ-LBPRGKRZSA-N	0	1	369.429	3.005	20	50		FGGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)o1	ZINC000824352421	607889406	/nfs/dbraw/zinc/88/94/06/607889406.db2.gz	CTJDLLGYPLACCH-RWMBFGLXSA-N	0	1	373.461	3.028	20	50		FGGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C[C@@H]2CCCC(C)(C)C2)o1	ZINC000824358500	607889216	/nfs/dbraw/zinc/88/92/16/607889216.db2.gz	LXTJOAJORLGOAS-NSHDSACASA-N	0	1	361.450	3.028	20	50		FGGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C[C@H]2CCCCC2(C)C)o1	ZINC000824358913	607711084	/nfs/dbraw/zinc/71/10/84/607711084.db2.gz	RWMNLWRAKRGVDQ-LLVKDONJSA-N	0	1	361.450	3.028	20	50		FGGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)o1	ZINC000824352422	607889164	/nfs/dbraw/zinc/88/91/64/607889164.db2.gz	CTJDLLGYPLACCH-YNEHKIRRSA-N	0	1	373.461	3.028	20	50		FGGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)o1	ZINC000824352419	607889151	/nfs/dbraw/zinc/88/91/51/607889151.db2.gz	CTJDLLGYPLACCH-FRRDWIJNSA-N	0	1	373.461	3.028	20	50		FGGDMN
C[N@@H+](CCP(=O)(c1ccccc1)c1ccccc1)C1(C(=O)[O-])CCCC1	ZINC000830795308	604462350	/nfs/dbraw/zinc/46/23/50/604462350.db2.gz	NYIRKAOCHQOXSH-UHFFFAOYSA-N	0	1	371.417	3.330	20	50		FGGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)CC2CCC(C)(C)CC2)o1	ZINC000824358403	607711204	/nfs/dbraw/zinc/71/12/04/607711204.db2.gz	IYULDSNRDCWYTK-UHFFFAOYSA-N	0	1	361.450	3.028	20	50		FGGDMN
C[C@H](C[N@@H+](CCCI)Cc1ccccc1)C(=O)[O-]	ZINC000833516157	605831896	/nfs/dbraw/zinc/83/18/96/605831896.db2.gz	GFELSEZWYAYSOE-GFCCVEGCSA-N	0	1	361.223	3.034	20	50		FGGDMN
CC[C@@H](Oc1ccccc1C(C)C)C(=O)NNC(=O)c1scnc1C	ZINC000105963022	700505579	/nfs/dbraw/zinc/50/55/79/700505579.db2.gz	QJMVPIBLMVSXFO-CQSZACIVSA-N	0	1	361.467	3.194	20	50		FGGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C[C@H]2CCCC(C)(C)C2)o1	ZINC000824358499	607889145	/nfs/dbraw/zinc/88/91/45/607889145.db2.gz	LXTJOAJORLGOAS-LLVKDONJSA-N	0	1	361.450	3.028	20	50		FGGDMN
C[C@@H](C[N@@H+](CCCI)Cc1ccccc1)C(=O)[O-]	ZINC000833516158	605831510	/nfs/dbraw/zinc/83/15/10/605831510.db2.gz	GFELSEZWYAYSOE-LBPRGKRZSA-N	0	1	361.223	3.034	20	50		FGGDMN
O=C([O-])C[N@@H+](CCP(=O)(c1ccccc1)c1ccccc1)C1CCCC1	ZINC000833248512	602336531	/nfs/dbraw/zinc/33/65/31/602336531.db2.gz	OBWWHQMIBUBNLJ-UHFFFAOYSA-N	0	1	371.417	3.330	20	50		FGGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C(C)(C)C2CCCCC2)o1	ZINC000824352767	608340124	/nfs/dbraw/zinc/34/01/24/608340124.db2.gz	MOYGIVFCYZUQFW-UHFFFAOYSA-N	0	1	361.450	3.028	20	50		FGGDMN
CC[C@H](Oc1ccccc1C(C)C)C(=O)NNC(=O)c1scnc1C	ZINC000105963020	700505756	/nfs/dbraw/zinc/50/57/56/700505756.db2.gz	QJMVPIBLMVSXFO-AWEZNQCLSA-N	0	1	361.467	3.194	20	50		FGGDMN